http://www.cnr.it/ontology/cnr/individuo/prodotto/ID171145

Core level study of alanine and threonine (Articolo in rivista)

Type

Prodotto della ricerca (Classe)
Articolo in rivista (Classe)

Label

Core level study of alanine and threonine (Articolo in rivista) (literal)

Anno

2008-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

10.1021/jp803017y (literal)

Alternative label

Feyer V., Plekan O., Richter R., Coreno M., Prince K.C., Carravetta V. (2008)
Core level study of alanine and threonine
in The journal of physical chemistry. A
(literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

Feyer V., Plekan O., Richter R., Coreno M., Prince K.C., Carravetta V. (literal)

Pagina inizio

7806 (literal)

Pagina fine

7815 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

112 (literal)

Rivista

?The ?journal of physical chemistry. A (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo

34 (literal)

Note

Google Scholar (literal)
ISI Web of Science (WOS) (literal)
Scopu (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

Sincrotrone Trieste, Area Science Park, I-34012 Basovizza (Trieste), Italy, CNR-IMIP, Montelibretti, Rome,I-00016 Italy, Laboratorio Nazionale TASC, CNR-INFM, 34012 Trieste, Italy, CNR-IPCF Institute of Chemical Physical Processes, Via Moruzzi 1, 56124 Pisa, Italy (literal)

Titolo

Core level study of alanine and threonine (literal)

Abstract

Core level X-ray photoemission spectra (XPS) and near edge X-ray absorption fine structure (NEXAFS) spectra of alanine and threonine in the gas phase have been measured at the carbon, nitrogen, and oxygen K edges and interpreted in the light of theoretical calculations. For the computations, a set of approximations is made which allows sufficiently accurate calculations of several conformers to be performed in reasonable computing time. The accuracy has been checked by comparing results obtained for proline to our previous, higher level calculations. The photoemission spectra at the carbon and oxygen edges are assigned and compared. The nitrogen 1s photoemission peaks show anomalous broadening which we relate to the populations and types of conformers. The carbon K-edge NEXAFS spectra of alanine and threonine are compared with our previous data on glycine and resonances assigned accordingly. The nitrogen K-edge NEXAFS spectra of alanine and threonine do not show measurable effects due to the population of conformers, in contrast to the photoemission results. At the oxygen K edge, the spectra of these amino acids are similar with two prominent peaks assigned to transitions of O 1s electrons from the oxo and hydroxyl groups to vacant À* and Ã* orbitals and additional intensity for threonine due to the second OH group. Conformer effects are observable in photoemission but appear to be more difficult to resolve in photoabsorption. We explain this by energetic shifts of opposite sign for the core hole states and unoccupied orbitals, which causes partial cancelation in NEXAFS but not in photoemission. (literal)

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